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MassBank Record: WA001555

Fenofibrate; LC-ESI-Q; MS; POS; 90 V

Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk)

ACCESSION: WA001555
RECORD_TITLE: Fenofibrate; LC-ESI-Q; MS; POS; 90 V
DATE: 2016.01.19 (Created 2007.08.01, modified 2012.01.25)
AUTHORS: Nihon Waters K.K.
LICENSE: CC BY-NC

CH$NAME: Fenofibrate
CH$COMPOUND_CLASS: Non-Natural Product; DRUGS
CH$FORMULA: C20H21ClO4
CH$EXACT_MASS: 360.11284
CH$SMILES: CC(C)OC(=O)C(C)(C)Oc(c2)ccc(c2)C(=O)c(c1)ccc(Cl)c1
CH$IUPAC: InChI=1S/C20H21ClO4/c1-13(2)24-19(23)20(3,4)25-17-11-7-15(8-12-17)18(22)14-5-9-16(21)10-6-14/h5-13H,1-4H3
CH$LINK: CHEMSPIDER 3222
CH$LINK: PUBCHEM CID:3339
CH$LINK: INCHIKEY YMTINGFKWWXKFG-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID2029874

AC$INSTRUMENT: ZQ, Waters
AC$INSTRUMENT_TYPE: LC-ESI-Q
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$CHROMATOGRAPHY: RETENTION_TIME 21.720 min
AC$CHROMATOGRAPHY: COLUMN_NAME 2.1 mm id - 3. 5{mu}m XTerra C18MS
AC$CHROMATOGRAPHY: COLUMN_TEMPERATURE 35 C
AC$CHROMATOGRAPHY: SAMPLING_CONE 90 V

MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5

PK$SPLASH: splash10-03dr-0900000000-4dcde9128c305f23863c
PK$NUM_PEAK: 24
PK$PEAK: m/z int. rel.int.
  104 20 20
  111 999 999
  113 329 329
  114 12 12
  116 12 12
  118 20 20
  121 646 646
  122 67 67
  128 8 8
  129 24 24
  134 74 74
  139 960 960
  140 43 43
  141 341 341
  142 16 16
  152 223 223
  153 16 16
  154 67 67
  166 8 8
  178 12 12
  191 12 12
  228 8 8
  233 20 20
  327 8 8
//

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